4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C9H6N2O3 — CID 53439993

IUPAC4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C9H6N2O3/c12-8-5-6(9(13)14)10-7-3-1-2-4-11(7)8/h1-5H,(H,13,14)
InChIKeyQHFYDXJQNAKVBJ-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.39
Rot. Bonds1

About 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 53439993) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID53439993
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C9H6N2O3/c12-8-5-6(9(13)14)10-7-3-1-2-4-11(7)8/h1-5H,(H,13,14)
InChIKeyQHFYDXJQNAKVBJ-UHFFFAOYSA-N
XLogP0.39
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 16770106
Methyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101098
Methyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144481
7-Fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115025651
9-Fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115025653
4-oxo-4H-Pyrido[1,2-a]pyrimidine-2-carboxylic acid ethyl ester
CID 852075
8-Fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115025650
6-Fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115025652
4-Oxo-8-(trifluoromethyl)pyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115048137
4-Oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115048138
4-Oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115048139
4-Oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115048140

Frequently Asked Questions

What is the IUPAC name of 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 53439993) is 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc(=O)n2ccccc2n1.
What is the InChIKey of 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is QHFYDXJQNAKVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-8-5-6(9(13)14)10-7-3-1-2-4-11(7)8/h1-5H,(H,13,14).
What are the key properties of 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 53439993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).